NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.6586 8.3049 120.2649 55.6036 33.8970 173.8244 2 K 4.5967 8.5773 117.8298 54.4422 37.4488 173.6527 3 L 5.0735 9.8446 125.9974 53.5555 45.2480 174.9613 4 I 4.7493 9.3317 129.5148 60.1950 38.9183 175.3130 5 V 4.7187 8.9419 128.9573 61.5342 32.7928 174.1144 6 A 5.0960 8.5011 130.9811 50.5718 21.2180 175.6277 7 I 4.8196 8.8536 124.4676 59.7570 38.5131 175.2708 8 V 4.7576 8.4106 120.1793 58.7655 35.4908 175.6131 9 R 4.2874 8.3384 121.1301 55.6459 30.7896 176.2587 10 P 4.2503 0.0000 0.0000 65.8347 31.0532 178.5156 11 E 4.0283 8.2331 114.9664 58.6713 29.7106 178.2182 12 K 4.3701 8.1104 117.5546 55.8810 32.5401 177.6786 13 L 3.9040 7.5825 122.4386 58.2931 41.9118 178.3744 14 N 4.2140 8.0457 116.1461 56.7973 38.9552 176.5344 15 E 3.8964 8.0219 119.4090 59.4272 29.6700 179.3306 16 V 3.5135 7.7776 118.2330 65.9930 31.6601 178.1101 17 L 3.4319 7.9182 118.8860 57.1545 41.4689 179.6133 18 K 3.9038 7.8571 118.4949 59.2042 31.5570 179.2899 19 A 4.0010 8.4902 121.4205 54.9815 17.7614 179.4438 20 L 3.7762 7.8421 116.8712 56.9092 41.8763 178.8797 21 F 4.8799 7.4320 116.5133 59.1859 39.2528 177.3613 22 Q 4.3709 8.0227 115.0865 56.8443 28.6878 176.8173 23 A 4.6895 7.2271 120.8564 50.2445 20.9866 176.4588 24 E 3.5986 7.7651 117.8661 58.1751 26.8276 173.2375 25 V 4.3609 8.2599 116.3039 61.1961 34.8003 173.8604 26 R 4.5791 8.2786 127.2732 54.8344 30.5064 177.4355 27 G 4.0009 8.9712 100.8527 46.9378 0.0000 172.9890 28 L 4.0972 8.6383 120.9772 56.2098 42.8411 176.5104 29 T 4.9262 8.5858 118.3910 60.4727 71.0802 172.3897 30 L 5.8329 8.6165 126.5113 54.5151 44.2808 174.3128 31 S 4.5833 8.2686 112.5665 58.1188 66.3226 172.9457 32 R 5.1734 8.4799 118.7605 55.1353 31.1899 176.6631 33 V 4.7721 8.8545 116.1047 59.6579 36.8095 174.0695 34 Q 5.0635 8.5747 119.3800 54.3882 30.9714 175.6344 35 G 4.0040 9.7023 111.1470 46.6517 0.0000 172.0246 36 H 4.9601 8.6369 120.8580 55.1650 32.8276 173.0753 37 G 3.5210 8.3216 113.2217 45.9636 0.0000 173.5613 *48 G 3.8854 7.5762 105.3235 45.0357 0.0000 170.5764 49 T 4.7477 7.6527 107.8580 59.9718 72.0024 172.7445 50 T 4.6630 8.2042 116.6434 61.6680 71.6889 173.8288 51 V 4.3933 7.9838 123.5392 61.1847 34.0351 175.3514 52 K 4.2828 8.2181 125.3582 55.9842 34.0773 174.3840 53 M 4.8501 8.3525 123.1261 53.0224 34.2186 175.2652 54 E 4.1599 8.5912 116.4026 57.7393 30.4511 176.6401 55 L 5.1737 7.6123 117.5863 52.9936 45.1455 175.6974 56 H 4.9039 8.9023 119.0841 53.6158 31.9618 173.1685 57 E 4.4883 8.9574 123.1931 56.7690 29.9420 176.5512 58 K 4.8572 9.2609 122.8406 54.7500 37.4095 175.1384 59 V 4.6182 8.8510 123.0210 61.2964 33.9433 174.4483 60 R 5.0220 9.5629 129.7950 54.8635 31.4217 175.4367 61 L 4.8194 9.0640 127.5251 54.6293 43.9877 176.4862 62 E 5.0209 8.9798 121.1510 55.8706 31.7847 172.2699 63 I 4.4650 8.8860 126.5569 59.2328 39.5457 174.6061 64 G 4.4019 8.7152 114.4092 45.2760 0.0000 173.2052 65 V 4.8748 9.0592 117.4526 59.6709 36.5244 175.3212 66 S 4.3921 7.6460 117.5148 57.5736 63.9986 175.5074 67 E 3.7004 8.5663 121.6847 59.4194 29.3381 177.6616 68 P 4.1717 0.0000 0.0000 66.0772 31.6245 177.7860 69 F 4.8193 6.9010 111.4453 57.3694 38.0452 177.5492 70 V 3.6168 7.7898 121.7639 66.6023 31.2124 178.2830 71 K 4.0771 8.0076 117.8188 58.7355 31.9032 177.4694 72 P 4.2783 0.0000 0.0000 65.7942 31.3222 178.6780 73 T 3.8822 7.9176 114.2979 66.8314 68.3834 176.8506 74 V 3.6112 7.7125 119.6931 66.1385 31.4322 177.9363 75 E 3.9655 8.6263 118.4110 59.0653 29.3119 178.8851 76 A 3.9893 8.2819 121.1501 55.2248 18.3636 179.8614 77 I 3.6164 7.9015 118.1459 64.6532 36.8123 178.6732 78 L 3.9528 8.1607 119.9332 57.5788 41.0969 179.9758 79 K 3.9716 7.9963 117.6362 59.3558 32.3048 179.0377 80 A 4.0971 8.1670 119.0295 53.9714 18.3676 177.9137 81 A 4.3945 7.8598 119.0692 52.8707 20.5287 177.7404 82 R 4.0306 7.4766 116.1699 56.8884 30.3827 176.2258 83 T 4.4636 8.2025 111.3656 60.2425 70.1002 175.0251 84 G 3.8857 8.2534 109.8106 45.5325 0.0000 172.8911 85 E 4.5507 7.6052 121.0774 53.6794 31.3458 175.2970 86 V 3.4783 8.1448 125.3313 64.0629 30.5793 175.6271 87 G 4.1322 9.0901 114.1730 45.5772 0.0000 175.1223 88 D 4.4279 7.6053 119.4762 55.6925 41.0725 175.4691 89 G 4.1929 8.1745 101.4714 45.0651 0.0000 172.0856 90 K 4.5193 8.0997 115.7341 55.9206 36.1565 174.6965 91 I 4.9497 7.8351 120.5299 59.5640 40.4108 174.8779 92 F 4.8316 9.1412 125.7898 55.7428 41.2831 174.7373 93 V 4.4560 8.5533 124.2427 61.6403 32.4332 174.8021 94 L 4.9274 8.6265 127.8872 52.0643 44.7440 174.6997 95 P 4.7272 0.0000 0.0000 63.0115 32.3392 176.0065 96 V 4.3583 7.9329 120.7977 61.9395 33.8474 174.6453 97 E 4.1650 9.0480 127.3455 58.5675 30.0491 177.1542 98 K 4.1233 7.6574 118.0083 55.2529 34.8364 174.2624 99 V 4.4903 8.1253 126.3104 60.1770 33.6223 174.1661 100 Y 5.6656 8.8594 122.2205 55.4853 40.7462 174.9740 101 R 4.4477 8.4838 122.7252 54.8987 31.2011 176.9550 102 I 3.6484 8.6746 128.1191 64.5300 37.5970 177.4229 103 R 4.0676 8.2853 119.4018 59.1758 29.8644 177.0105 104 T 4.3574 8.0312 104.5432 60.7745 70.7464 173.9565 105 G 3.7972 8.7431 109.8260 46.2427 0.0000 172.7652 106 E 4.5925 7.7986 120.2334 55.6688 32.0995 176.3269 107 E 5.2787 7.7751 110.4015 57.3572 35.6253 175.0135 108 D 4.8854 7.6682 116.8577 50.4116 41.0836 175.0246 109 E 4.7646 7.7799 120.9910 57.2674 28.9281 177.3516 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 M 8.30 4.66 0.00 1.88 2.04 0.00 0.00 0.00 0.00 0.00 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.46 0.00 2 K 8.58 4.60 0.00 1.61 1.64 0.00 1.61 0.00 0.00 1.60 0.00 0.00 2.82 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.50 1.57 7.81 3 L 9.84 5.07 0.00 1.72 1.51 0.95 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 4 I 9.33 4.75 1.93 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.84 0.96 0.00 0.00 5 V 8.94 4.72 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.94 0.00 0.00 6 A 8.50 5.10 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 I 8.85 4.82 1.93 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.12 0.96 0.00 0.00 8 V 8.41 4.76 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.99 0.00 0.00 9 R 8.34 4.29 0.00 1.86 2.03 0.00 3.14 0.00 0.00 3.46 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.64 0.00 10 P 0.00 4.25 0.00 2.15 2.12 0.00 3.61 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.17 0.00 11 E 8.23 4.03 0.00 2.11 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.35 0.00 12 K 8.11 4.37 0.00 1.74 1.94 0.00 1.97 0.00 0.00 1.70 0.00 0.00 2.89 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.37 1.55 7.81 13 L 7.58 3.90 0.00 1.78 1.76 0.91 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 14 N 8.05 4.21 0.00 2.77 2.77 0.00 0.00 7.19 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 E 8.02 3.90 0.00 2.14 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.33 0.00 16 V 7.78 3.51 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.91 0.00 0.00 17 L 7.92 3.43 0.00 1.72 1.24 0.92 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 18 K 7.86 3.90 0.00 1.88 1.80 0.00 1.63 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.43 1.58 7.81 19 A 8.49 4.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 L 7.84 3.78 0.00 1.41 1.80 0.89 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 21 F 7.43 4.88 0.00 3.13 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 Q 8.02 4.37 0.00 2.07 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.28 0.00 0.00 0.00 0.00 0.00 2.43 2.71 0.00 23 A 7.23 4.69 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 E 7.77 3.60 0.00 1.96 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.29 0.00 25 V 8.26 4.36 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 1.02 0.00 0.00 26 R 8.28 4.58 0.00 1.87 1.76 0.00 3.11 0.00 0.00 3.28 7.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.55 0.00 27 G 8.97 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 L 8.64 4.10 0.00 1.90 1.74 1.09 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 29 T 8.59 4.93 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 30 L 8.62 5.83 0.00 1.70 1.62 0.95 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 31 S 8.27 4.58 0.00 3.89 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 R 8.48 5.17 0.00 1.72 1.91 0.00 3.32 0.00 0.00 3.24 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.60 0.00 33 V 8.85 4.77 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.97 0.00 0.00 34 Q 8.57 5.06 0.00 2.03 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 7.03 0.00 0.00 0.00 0.00 0.00 2.22 2.28 0.00 35 G 9.70 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 H 8.64 4.96 0.00 3.17 3.16 0.00 5.76 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 G 8.32 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *48 G 7.58 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 T 7.65 4.75 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 50 T 8.20 4.66 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 51 V 7.98 4.39 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.93 0.00 0.00 52 K 8.22 4.28 0.00 1.71 1.64 0.00 1.78 0.00 0.00 1.75 0.00 0.00 3.04 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.34 1.36 7.81 53 M 8.35 4.85 0.00 2.05 1.92 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.07 0.00 54 E 8.59 4.16 0.00 2.10 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.35 0.00 55 L 7.61 5.17 0.00 1.49 1.58 0.94 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 56 H 8.90 4.90 0.00 3.10 3.19 0.00 5.82 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 E 8.96 4.49 0.00 1.86 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.30 0.00 58 K 9.26 4.86 0.00 1.74 1.65 0.00 1.66 0.00 0.00 1.59 0.00 0.00 2.79 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.60 1.54 7.81 59 V 8.85 4.62 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.94 0.00 0.00 60 R 9.56 5.02 0.00 1.83 1.92 0.00 3.16 0.00 0.00 3.18 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.63 0.00 61 L 9.06 4.82 0.00 1.67 1.61 0.97 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 62 E 8.98 5.02 0.00 2.06 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.32 0.00 63 I 8.89 4.47 1.95 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.79 1.01 0.00 0.00 64 G 8.72 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 V 9.06 4.87 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 1.00 0.00 0.00 66 S 7.65 4.39 0.00 2.72 3.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 E 8.57 3.70 0.00 1.87 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.22 0.00 68 P 0.00 4.17 0.00 2.10 2.22 0.00 3.06 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.06 0.00 69 F 6.90 4.82 0.00 3.12 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 V 7.79 3.62 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.92 0.00 0.00 71 K 8.01 4.08 0.00 1.87 1.86 0.00 1.74 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.54 1.53 7.81 72 P 0.00 4.28 0.00 2.26 2.15 0.00 3.80 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.24 0.00 73 T 7.92 3.88 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 74 V 7.71 3.61 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.98 0.00 0.00 75 E 8.63 3.97 0.00 2.06 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.58 0.00 76 A 8.28 3.99 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 I 7.90 3.62 1.99 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.81 0.90 0.00 0.00 78 L 8.16 3.95 0.00 1.68 1.71 0.92 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 79 K 8.00 3.97 0.00 1.91 1.84 0.00 1.69 0.00 0.00 1.70 0.00 0.00 3.04 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.66 7.81 80 A 8.17 4.10 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 A 7.86 4.39 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 R 7.48 4.03 0.00 1.86 1.88 0.00 3.19 0.00 0.00 3.26 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.55 0.00 83 T 8.20 4.46 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 84 G 8.25 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 E 7.61 4.55 0.00 1.99 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.25 0.00 86 V 8.14 3.48 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.91 0.00 0.00 87 G 9.09 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 D 7.61 4.43 0.00 2.71 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 G 8.17 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 K 8.10 4.52 0.00 1.37 1.68 0.00 1.49 0.00 0.00 1.17 0.00 0.00 2.75 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.30 1.06 7.81 91 I 7.84 4.95 1.80 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.62 0.93 0.00 0.00 92 F 9.14 4.83 0.00 2.98 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 V 8.55 4.46 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.95 0.00 0.00 94 L 8.63 4.93 0.00 1.73 1.51 0.85 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 95 P 0.00 4.73 0.00 1.93 1.98 0.00 3.65 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 96 V 7.93 4.36 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.96 0.00 0.00 97 E 9.05 4.16 0.00 2.01 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.29 0.00 98 K 7.66 4.12 0.00 1.63 1.65 0.00 1.82 0.00 0.00 1.83 0.00 0.00 3.00 0.00 0.00 2.81 0.00 0.00 0.00 0.00 0.52 1.14 7.81 99 V 8.13 4.49 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.95 0.00 0.00 100 Y 8.86 5.67 0.00 2.78 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 R 8.48 4.45 0.00 1.92 1.92 0.00 3.31 0.00 0.00 3.35 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 102 I 8.67 3.65 1.89 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.68 0.91 0.00 0.00 103 R 8.29 4.07 0.00 1.78 1.98 0.00 3.20 0.00 0.00 3.28 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 104 T 8.03 4.36 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 105 G 8.74 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 E 7.80 4.59 0.00 2.33 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.34 0.00 107 E 7.78 5.28 0.00 1.83 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 2.09 0.00 108 D 7.67 4.89 0.00 2.53 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 E 7.78 4.76 0.00 2.12 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.16 0.00 * Residues marked with a * may have inaccurate shift predictions.